CID 55206820

Octahydrocyclopenta[b]thiomorpholine

Structural Information

Molecular Formula
C7H13NS
SMILES
C1CC2C(C1)SCCN2
InChI
InChI=1S/C7H13NS/c1-2-6-7(3-1)9-5-4-8-6/h6-8H,1-5H2
InChIKey
IJJUBIFQLYZYPO-UHFFFAOYSA-N
Compound name
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]thiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

143.07687 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.084146 129.2
[M+Na]+ 166.066088 135.0
[M-H]- 142.069594 130.1
[M+NH4]+ 161.110693 151.9
[M+K]+ 182.040028 132.5
[M+H-H2O]+ 126.074130 124.0
[M+HCOO]- 188.075071 141.5
[M+CH3COO]- 202.090721 141.2
[M+Na-2H]- 164.051536 131.4
[M]+ 143.07632142 123.5
[M]- 143.07741858 123.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe